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EC number: 601-478-9 | CAS number: 117428-22-5
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The dissociation constant of the test substance was estimated following assessment of its structure.
- GLP compliance:
- yes
- Dissociating properties:
- not determined
- pKa:
- < 1
- Conclusions:
- The dissociation constant of the test substance has been calculated to be less than 1
- Executive summary:
The dissociation constant of the test substance was estimated following assessment of its structure. The dissociation constant of the test substance is that of an extremely weak base calculated to be less than 1 and hence cannot be measured. Using the Hammett equation for pKa prediction of the 2-substituted pyridinium ion, pKa is calculated to be -1.7 ± 1.
Reference
Description of key information
Estimated based on structure
Key value for chemical safety assessment
Additional information
Calculated to be <1
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